Compound Detail
CHEMBL3416824
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O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21
Basic Information
| ChEMBL ID | CHEMBL3416824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEKCCRCHJCRAMG-KDXMTYKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
680.8
MW (Da)
7.99
ALogP
8
HBA
6
HBD
147.7
PSA (Ų)
0.09
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division protein FtsZ CHEMBL3999 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division protein FtsZ | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of Escherichia coli FtsZ GTPase activity | 25791674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25791674 | 10.1016/j.ejmech.2015.03.026 | Bacillus subtilis | 1 |
| 25791674 | 10.1016/j.ejmech.2015.03.026 | Cell division protein FtsZ | 1 |
| 25791674 | 10.1016/j.ejmech.2015.03.026 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine